2-[4-(2-ethyl-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-(2-ethyl-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(2-ethyl-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(2-ethyl-5-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(2-ethyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(2-ethyl-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile Formula: C21H25N6+ MolecularWeight: 361.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C)N4CC[NH+](CC4)CC#N

Isomeric SMILES

CCC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C)N4CC[NH+](CC4)CC#N

InChI

InChI=1S/C21H24N6/c1-3-18-20(17-7-5-4-6-8-17)21-23-16(2)15-19(27(21)24-18)26-13-11-25(10-9-22)12-14-26/h4-8,15H,3,10-14H2,1-2H3/p+1